ethyl [4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0305 |
| Compound Name: | ethyl [4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C20 H27 N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(NCCC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3264 |
| logD: | 3.3264 |
| logSw: | -3.7516 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.919 |
| InChI Key: | GUWJJBYJVHRXLM-UHFFFAOYSA-N |